6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane

C304H201F3N21PS — CID 160592878

IUPAC6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane
SMILESCP=S.Cc1ccc(N(c2ccccc2)c2ccc3c4c2C=CC2=CC=C(N(c5ccccc5)c5ccc(C(F)(F)F)cc5)C(C=C3)C24)cc1.[2H]c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc([N+]#[C-])cc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3ccc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C66H40N6.C60H42N4.2C47H29N3.C42H31F3N2.C41H27N3.CH3PS/c1-68-46-26-30-50(31-27-46)70(52-33-39-64-58(41-52)54-17-9-11-19-60(54)72(64)48-14-6-3-7-15-48)62-37-25-45-22-34-55-61(36-24-44-23-35-56(62)66(45)65(44)55)69(49-28-20-43(42-67)21-29-49)51-32-38-63-57(40-51)53-16-8-10-18-59(53)71(63)47-12-4-2-5-13-47;1-59(2)51-12-8-6-10-45(51)47-30-26-43(34-53(47)59)63(41-22-14-37(36-61)15-23-41)55-32-18-38-17-29-50-56(33-19-39-16-28-49(55)57(38)58(39)50)64(42-24-20-40(62-5)21-25-42)44-27-31-48-46-11-7-9-13-52(46)60(3,4)54(48)35-44;1-48-34-21-23-37(24-22-34)49(35-10-4-2-5-11-35)44-28-19-32-17-26-40-38(25-16-31-18-27-41(44)47(32)46(31)40)33-20-29-45-42(30-33)39-14-8-9-15-43(39)50(45)36-12-6-3-7-13-36;1-48-34-22-24-36(25-23-34)49(35-11-3-2-4-12-35)45-29-21-32-19-27-41-38(26-18-31-20-28-42(45)47(32)46(31)41)33-10-9-13-37(30-33)50-43-16-7-5-14-39(43)40-15-6-8-17-44(40)50;1-28-12-20-34(21-13-28)46(32-8-4-2-5-9-32)38-26-16-29-15-25-37-39(27-17-30-14-24-36(38)40(29)41(30)37)47(33-10-6-3-7-11-33)35-22-18-31(19-23-35)42(43,44)45;1-42-31-21-23-35(24-22-31)44(34-15-9-4-10-16-34)39-28-20-30-17-25-36-38(27-19-29-18-26-37(39)41(30)40(29)36)43(32-11-5-2-6-12-32)33-13-7-3-8-14-33;1-2-3/h2-41H;6-35H,1-4H3;2*2-30H;2-27,37,41H,1H3;2-28H;1H3/i;;;;;2D;
InChIKeyRDGIBDJXSPVGGD-FWJUDIQNSA-N
MW4269.14 g/mol
LogP86.43
Rot. Bonds36

About 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane

6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane (PubChem CID 160592878) has the molecular formula C304H201F3N21PS and a molecular weight of 4269.14 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane.

Molecular Properties

Compound Name6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane
PubChem CID160592878
Molecular FormulaC304H201F3N21PS
Molecular Weight4269.14 g/mol
Exact Mass4265.58
IUPAC Name6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane
SMILESCP=S.Cc1ccc(N(c2ccccc2)c2ccc3c4c2C=CC2=CC=C(N(c5ccccc5)c5ccc(C(F)(F)F)cc5)C(C=C3)C24)cc1.[2H]c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc([N+]#[C-])cc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3ccc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1
InChIInChI=1S/C66H40N6.C60H42N4.2C47H29N3.C42H31F3N2.C41H27N3.CH3PS/c1-68-46-26-30-50(31-27-46)70(52-33-39-64-58(41-52)54-17-9-11-19-60(54)72(64)48-14-6-3-7-15-48)62-37-25-45-22-34-55-61(36-24-44-23-35-56(62)66(45)65(44)55)69(49-28-20-43(42-67)21-29-49)51-32-38-63-57(40-51)53-16-8-10-18-59(53)71(63)47-12-4-2-5-13-47;1-59(2)51-12-8-6-10-45(51)47-30-26-43(34-53(47)59)63(41-22-14-37(36-61)15-23-41)55-32-18-38-17-29-50-56(33-19-39-16-28-49(55)57(38)58(39)50)64(42-24-20-40(62-5)21-25-42)44-27-31-48-46-11-7-9-13-52(46)60(3,4)54(48)35-44;1-48-34-21-23-37(24-22-34)49(35-10-4-2-5-11-35)44-28-19-32-17-26-40-38(25-16-31-18-27-41(44)47(32)46(31)40)33-20-29-45-42(30-33)39-14-8-9-15-43(39)50(45)36-12-6-3-7-13-36;1-48-34-22-24-36(25-23-34)49(35-11-3-2-4-12-35)45-29-21-32-19-27-41-38(26-18-31-20-28-42(45)47(32)46(31)41)33-10-9-13-37(30-33)50-43-16-7-5-14-39(43)40-15-6-8-17-44(40)50;1-28-12-20-34(21-13-28)46(32-8-4-2-5-9-32)38-26-16-29-15-25-37-39(27-17-30-14-24-36(38)40(29)41(30)37)47(33-10-6-3-7-11-33)35-22-18-31(19-23-35)42(43,44)45;1-42-31-21-23-35(24-22-31)44(34-15-9-4-10-16-34)39-28-20-30-17-25-36-38(27-19-29-18-26-37(39)41(30)40(29)36)43(32-11-5-2-6-12-32)33-13-7-3-8-14-33;1-2-3/h2-41H;6-35H,1-4H3;2*2-30H;2-27,37,41H,1H3;2-28H;1H3/i;;;;;2D;
InChIKeyRDGIBDJXSPVGGD-FWJUDIQNSA-N
XLogP86.43
TPSA121.50 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms330
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004269.14
LogP ≤ 586.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane?
The IUPAC name of 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane (CID 160592878) is 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane.
What is the SMILES notation for 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane?
The canonical SMILES for 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane is CP=S.Cc1ccc(N(c2ccccc2)c2ccc3c4c2C=CC2=CC=C(N(c5ccccc5)c5ccc(C(F)(F)F)cc5)C(C=C3)C24)cc1.[2H]c1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccc([N+]#[C-])cc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3ccc4c(N(c5ccc(C#N)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3ccc4c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc5ccc2c3c54)cc1.[C-]#[N+]c1ccc(N(c2ccccc2)c2ccc3ccc4c(-c5cccc(-n6c7ccccc7c7ccccc76)c5)ccc5ccc2c3c54)cc1.
What is the InChIKey of 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane?
The InChIKey is RDGIBDJXSPVGGD-FWJUDIQNSA-N. The full InChI is InChI=1S/C66H40N6.C60H42N4.2C47H29N3.C42H31F3N2.C41H27N3.CH3PS/c1-68-46-26-30-50(31-27-46)70(52-33-39-64-58(41-52)54-17-9-11-19-60(54)72(64)48-14-6-3-7-15-48)62-37-25-45-22-34-55-61(36-24-44-23-35-56(62)66(45)65(44)55)69(49-28-20-43(42-67)21-29-49)51-32-38-63-57(40-51)53-16-8-10-18-59(53)71(63)47-12-4-2-5-13-47;1-59(2)51-12-8-6-10-45(51)47-30-26-43(34-53(47)59)63(41-22-14-37(36-61)15-23-41)55-32-18-38-17-29-50-56(33-19-39-16-28-49(55)57(38)58(39)50)64(42-24-20-40(62-5)21-25-42)44-27-31-48-46-11-7-9-13-52(46)60(3,4)54(48)35-44;1-48-34-21-23-37(24-22-34)49(35-10-4-2-5-11-35)44-28-19-32-17-26-40-38(25-16-31-18-27-41(44)47(32)46(31)40)33-20-29-45-42(30-33)39-14-8-9-15-43(39)50(45)36-12-6-3-7-13-36;1-48-34-22-24-36(25-23-34)49(35-11-3-2-4-12-35)45-29-21-32-19-27-41-38(26-18-31-20-28-42(45)47(32)46(31)41)33-10-9-13-37(30-33)50-43-16-7-5-14-39(43)40-15-6-8-17-44(40)50;1-28-12-20-34(21-13-28)46(32-8-4-2-5-9-32)38-26-16-29-15-25-37-39(27-17-30-14-24-36(38)40(29)41(30)37)47(33-10-6-3-7-11-33)35-22-18-31(19-23-35)42(43,44)45;1-42-31-21-23-35(24-22-31)44(34-15-9-4-10-16-34)39-28-20-30-17-25-36-38(27-19-29-18-26-37(39)41(30)40(29)36)43(32-11-5-2-6-12-32)33-13-7-3-8-14-33;1-2-3/h2-41H;6-35H,1-4H3;2*2-30H;2-27,37,41H,1H3;2-28H;1H3/i;;;;;2D;.
What are the key properties of 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane?
6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane has a molecular weight of 4269.14 g/mol, XLogP of 86.43, 36 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbazol-9-ylphenyl)-N-(4-isocyanophenyl)-N-phenylpyren-1-amine;6-N-(4-deuteriophenyl)-1-N-(4-isocyanophenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;4-[(9,9-dimethylfluoren-2-yl)-[6-(N-(9,9-dimethylfluoren-2-yl)-4-isocyanoanilino)pyren-1-yl]amino]benzonitrile;4-[[6-(4-isocyano-N-(9-phenylcarbazol-3-yl)anilino)pyren-1-yl]-(9-phenylcarbazol-3-yl)amino]benzonitrile;N-(4-isocyanophenyl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyren-1-amine;1-N-(4-methylphenyl)-1-N,6-N-diphenyl-6-N-[4-(trifluoromethyl)phenyl]-5a,10c-dihydropyrene-1,6-diamine;thiophosphorosomethane is sourced from PubChem (CID 160592878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).